N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide

Systemtic Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide Openeye Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide CAS Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide IUPAC Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide Traditional Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenyl-propionamide Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C20H22N2O2S2/c1-24-16-9-10-17-18(14-16)26-20(22(17)12-13-25-2)21-19(23)11-8-15-6-4-3-5-7-15/h3-7,9-10,14H,8,11-13H2,1-2H3